File name: Pandora55s1_QueensNY_20240913_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240914T050042.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240913_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240913 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20240913T111758.1Z 9022.470811 59 1 50.73 2 82.62 91.73 157.98 299.95 0.00 1 0.00 1 0 25 8.839e-01 5.908e-02 1.990e-01 1.328e-02 8.458136e-01 7.733014e-03 9.605770e-03 -6.000000e+00 5.504246e-01 229.34 -2.00 3.51 -2.00 321.47 0.00e+00 -1.200300e-02 2.675016e-03 2.870309e-04 -6.000000e+00 2.681087e-02 288.06 -2.00 20.00 -2.00 320.78 0.00e+00 7.194 0.007 302.00 328.00 3 1.9257e+00 2.4910e-02 8.4178e-02 -6.0000e+00 1.3770e+00 1.5260e+00 2.9524e-02 4.5852e-02 -6.0000e+00 1.4988e+00 -1.8041e+00 1.6781e-02 2.1111e-02 -6.0000e+00 8.8870e-01 6.5043e-01 8.8232e-03 1.0367e-02 -6.0000e+00 3.7339e-01 2.1556e-05 -1.4896e-03 3.9086e-04 1.5294e-04 -6.0000e+00 2.7845e-02 1.0520e-03 0.0000e+00 12 9 8 11 32 0 -130.55 22.53 0.69 0.00105 -0.01014 15 3 1 5 0 3381.400 26.21 19.97 22.53 23.96 37.7 1040.78 900000 1529 900000 -35091 77618 13006 7401 900000 81753 41109 900000 -8262 -36853 35118 900000 42479 -4910 900000 900000 900000 18897 197930 92623 -57932 44141 20570 900000 18274 -32442 -23126 6932 119207 25222 40830 52975 900000 -22227 162288 120938 900000 32453 430719 812 55297 54773 900000 -647 900000 148909 219257 26629 31472 -4082 900000 257324 92130 596819 86304 178125 31497 -17557 143748 30761 -25700 37436 -24384 141445 -10229 27913 46415 22326 59398 77217 -6358 107990 4064 28678 123627 -10213 -6486 -24706 6393 7311 19231 -6860 4126 -15204 2548 -5755 5606 -4565 -14211 9988 769 -2185 5580 -7932 -3900 -1276 -1232 -1770 -3999 -839 12185 7297 2471 -238 -7419 619 8155 3669 -11694 1884 1534 -5855 -4160 20 5773 -3140 -986 -523 5682 6020 13986 -1552 2151 -6846 1072 -3219 -3875 2122 4838 3099 839 1367 -1784 659 -101 995 -337 -2138 -2370 1845 -1242 900000 213 900000 -5829 3741 1007 587 900000 3623 2770 900000 -899 -5593 2960 900000 3961 -743 900000 900000 900000 2073 3669 4575 -12307 3821 2307 900000 1843 -4707 -2859 659 4268 2444 3547 3979 900000 -3105 4226 5457 900000 4437 5563 159 6281 5911 900000 -106 900000 5754 4419 3605 4399 -865 900000 5098 9260 7708 9415 7779 5162 -4306 7618 5049 -7866 6828 -8183 9755 -2954 5938 9150 6132 12268 13695 -2375 12721 1144 5753 9580 -2894 -1988 -10441 2332 2977 7640 -3685 2107 -9708 1434 -3532 3054 -2613 -8396 4478 373 -1156 3092 -5737 -3121 -1123 -1167 -1700 -3704 -689 8276 5151 1917 -200 -7008 585 7945 4186 -16961 2598 2179 -8803 -5992 28 7527 -4581 -1476 -799 8166 8342 17485 -2171 2837 -9555 1376 -4487 -6051 3555 8740 6117 1787 3077 -4363 1653 -261 2575 -878 -5512 -5813 4129 -2756 SS 20240913T112921.3Z 9022.478718 62 1 50.53 2 80.47 93.61 159.69 304.57 0.00 1 0.00 1 0 25 5.548e-01 2.666e-02 1.529e-01 4.179e-03 7.613119e-01 2.381695e-03 8.777103e-03 -6.000000e+00 3.403719e-01 229.34 -2.00 3.51 -2.00 321.34 0.00e+00 8.358405e-03 1.223363e-03 1.008235e-03 -6.000000e+00 1.569027e-02 288.06 -2.00 20.00 -2.00 320.75 0.00e+00 5.751 0.003 302.00 328.00 3 1.7882e+00 8.4367e-03 7.0241e-02 -6.0000e+00 8.5057e-01 4.4107e-01 1.1259e-02 4.1486e-02 -6.0000e+00 9.2497e-01 -6.3336e-01 9.7475e-03 2.2359e-02 -6.0000e+00 5.4819e-01 2.6764e-01 4.5587e-03 1.1445e-02 -6.0000e+00 2.2670e-01 1.2474e-04 -2.2245e-03 1.1923e-04 1.4938e-04 -6.0000e+00 1.7020e-02 1.3891e-03 0.0000e+00 12 8 8 10 0 0 2.65 22.53 0.38 0.00139 -0.01533 49 9 1 5 0 1031.080 26.21 20.01 22.53 24.68 37.6 1044.40 -181691 -187487 900000 -216931 -3335 -89442 -139853 900000 -93207 -111400 -195222 -110650 -172182 31961 900000 288 -84030 900000 900000 258960 -36632 31921 82782 -99623 8574 -45307 900000 -28886 -15435 -75227 5367 29220 17304 4459 28632 900000 -13516 -9964 58546 103286 13542 58479 9610 13321 25719 98583 7172 58257 54586 47376 15733 25355 6889 59212 49802 27582 40166 27549 23847 9779 -715 29963 12200 1962 23857 -59 22528 2709 7230 8016 6743 6669 10242 -1578 14070 -863 6970 11375 -2425 -3351 -5765 7772 -2715 1089 -4574 -640 -5315 -1976 -4792 -1910 -1660 -2027 -1 83 -1536 -2226 -3817 -2384 -2084 -2016 -1518 -1548 170 2304 -407 -808 -1883 -2109 -1273 1359 -421 -2086 -186 -452 -577 350 1294 1891 368 17 -1099 -723 1747 3202 1169 1166 868 1882 1110 -73 1307 1758 1206 909 723 -220 10 19 -331 -1419 -600 -612 -635 -812 -4400 -5741 900000 -9510 -18 -1005 -2498 900000 -1193 -1779 -7175 -1982 -6638 225 900000 4 -3253 900000 900000 1054 -1157 523 824 -5711 186 -1684 900000 -918 -428 -3821 145 760 596 192 1003 900000 -692 -543 1962 2669 924 2862 785 1091 1915 3803 661 3448 3496 3455 1659 2702 963 5548 5444 3866 5167 4004 3530 1606 -129 4262 2256 449 4942 -16 4968 718 1932 2354 2241 2387 3654 -611 4460 -287 1979 2987 -753 -1183 -2440 3364 -1446 609 -2854 -407 -3711 -1394 -3536 -1368 -1150 -1343 -1 51 -994 -1614 -3205 -2253 -2196 -2280 -1726 -1685 168 2101 -376 -784 -1937 -2281 -1459 1650 -570 -3124 -289 -717 -903 528 1892 2768 561 28 -1813 -1184 2735 4807 1741 1694 1232 2602 1594 -115 2250 3264 2378 1874 1565 -501 23 45 -803 -3467 -1430 -1399 -1384 -1725 SS 20240913T113819.6Z 9022.484949 67 1 50.46 2 78.78 95.10 160.97 308.68 0.00 1 0.00 1 0 25 6.115e-01 1.131e-02 1.540e-01 2.205e-03 6.831109e-01 1.221685e-03 7.800370e-03 -6.000000e+00 3.699406e-01 229.34 -2.00 3.51 -2.00 320.79 0.00e+00 3.889803e-03 5.467785e-04 8.711391e-04 -6.000000e+00 1.664857e-02 288.06 -2.00 20.00 -2.00 320.14 0.00e+00 4.958 0.002 302.00 328.00 3 1.5875e+00 3.9828e-03 6.1706e-02 -6.0000e+00 9.2237e-01 8.2353e-02 5.2908e-03 3.7937e-02 -6.0000e+00 9.9907e-01 -8.0390e-02 5.0238e-03 1.8784e-02 -6.0000e+00 5.9480e-01 2.3687e-02 2.4389e-03 8.2482e-03 -6.0000e+00 2.4909e-01 3.6644e-04 -1.3547e-03 6.3294e-05 8.0197e-05 -6.0000e+00 1.8610e-02 9.7525e-04 0.0000e+00 12 8 8 10 0 0 39.64 22.53 0.27 0.00098 -0.00920 94 18 1 5 0 536.590 26.21 20.00 22.53 25.27 37.8 1047.56 -212427 -200329 900000 -218581 -38806 -157085 -136869 900000 -31473 -104218 -123241 -106308 -130680 -68157 900000 -15830 -78565 900000 245572 83098 -48019 6387 -1763 -58407 -19412 -28866 412233 -19495 -31102 -55835 -3214 -1977 -10472 -14838 1468 47122 -6705 -15252 5973 14321 -3488 5346 -8725 1709 1631 18993 -5042 10062 4452 7446 3026 1011 -1430 12177 9383 1957 7214 2464 5337 -1056 -229 6317 3388 -154 3504 -2461 5121 791 2176 2360 523 1984 1211 -2701 2274 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